5-[(4-fluoroanilino)methyl]-2-[(2-fluorophenyl)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[(4-fluoroanilino)methyl]-2-[(2-fluorophenyl)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
5-[(4-fluoroanilino)methyl]-2-[(2-fluorophenyl)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
Compound ID: | 8020-4836 |
Compound Name: | 5-[(4-fluoroanilino)methyl]-2-[(2-fluorophenyl)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one |
Molecular Weight: | 316.31 |
Molecular Formula: | C16 H14 F2 N4 O |
Smiles: | C(C1NN(Cc2ccccc2F)C(N=1)=O)Nc1ccc(cc1)F |
Stereo: | ACHIRAL |
logP: | 2.9073 |
logD: | 2.9073 |
logSw: | -3.1609 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 51.139 |
InChI Key: | VIIDCFOAWKYTGY-UHFFFAOYSA-N |